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Update to xtb 6.4.1 #69

Merged
merged 1 commit into from
Jan 31, 2022
Merged

Update to xtb 6.4.1 #69

merged 1 commit into from
Jan 31, 2022

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awvwgk
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@awvwgk awvwgk commented Jan 31, 2022

  • remove Travis-CI integration, enable Ubuntu on GHA
  • update dipole test in QCSchema runner

Closes #44
Closes #60
Closes #62
Closes #61

@awvwgk awvwgk added the xtb Related to the upstream xtb dependency label Jan 31, 2022
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codecov bot commented Jan 31, 2022

Codecov Report

Merging #69 (917d251) into main (fe72b39) will not change coverage.
The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##             main      #69   +/-   ##
=======================================
  Coverage   97.04%   97.04%           
=======================================
  Files           8        8           
  Lines         440      440           
=======================================
  Hits          427      427           
  Misses         13       13           
Impacted Files Coverage Δ
xtb/interface.py 97.32% <ø> (ø)

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- remove Travis-CI integration, enable Ubuntu on GHA
- update dipole test in QCSchema runner
@awvwgk awvwgk merged commit af3feae into grimme-lab:main Jan 31, 2022
@awvwgk awvwgk deleted the update-6.4.1 branch January 31, 2022 20:28
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Drop Travis CI Update submodule to xtb 6.4.1 Check typehints for ndarrays
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